| CAS Number | 109819-33-2 |
| Catalog Number | AG01A886(AGN-PC-0946AV) |
| Chemical Name | 3,4-dihydro-1H-2-benzothiopyran-4-ol |
| IUPAC Name | 3,4-dihydro-1H-isothiochromen-4-ol |
| InChI | InChI=1S/C9H10OS/c10-9-6-11-5-7-3-1-2-4-8(7)9/h1-4,9-10H,5-6H2 |
| InChI Key | LMGWYNSDSPJQFX-UHFFFAOYSA-N |
| MDL Number | MFCD02183485 |
| Molecular Formula | C9H10OS |
| Molecular Weight | 166.2401 |
| NSC Number | 261560 |
| SMILES | OC1C2=C(C=CC=C2)CSC1 |
| Synonyms | 3,4-dihydro-1H-2-benzothiopyran-4-ol,
109819-33-2,
1H-2-Benzothiopyran-4-ol, 3,4-dihydro-,
Isothiochroman-4-ol,
3,4-dihydro-1H-isothiochromen-4-ol,
NSC261560,
ACMC-20mclr,
AC1L7ZTL,
AC1Q7ARG,
SCHEMBL2817604,
CTK0G2307,
DTXSID40312770,
AKOS009940931,
NE28576,
NSC-261560,
EN300-60980,
CID319249,
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| Complexity | 138 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 166.045g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 11 |
| Hydrogen Bond Acceptor Count | 2 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 166.238g/mol |
| Monoisotopic Mass | 166.045g/mol |
| Rotatable Bond Count | 0 |
| Topological Polar Surface Area | 45.5A^2 |
| Undefined Atom Stereocenter Count | 1 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.3 |
GHS Hazard and Precautionary Statements
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Certificate of Analysis
Lot Number